5-Methyl-2-(propan-2-yl)cyclohexyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
기본 정보
- CAS
497945-58-1- 표준 SMILES
CC1CCC(C(C)C)C(OC(=O)c2cccc(N3C(=O)C4C(C3=O)C3(Br)c5ccccc5C4(Br)c4ccccc43)c2)C1- InChIKey
UJZIZPCSYVVVMP-UHFFFAOYSA-N- 분자식
- C35H33Br2NO4
- 평균 분자량
- 691.4 g/mol
이름 및 식별자
- 우선 이름
- 5-Methyl-2-(propan-2-yl)cyclohexyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)
- IUPAC
- (5-methyl-2-propan-2-ylcyclohexyl) 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
- 영어명
- 2-isopropyl-5-methylcyclohexyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
- 분자식
- C35H33Br2NO4
- 분자량
- 691.45
이름 및 동의어
5-methyl-2-(propan-2-yl)cyclohexyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate (non-preferred name)STK268573AKOS003243755AKOS022062570ST50240625AK-918/12087006(5-methyl-2-propan-2-ylcyclohexyl) 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate2-isopropyl-5-methylcyclohexyl 3-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate5-methyl-2-(methylethyl)cyclohexyl 3-(1,8-dibromo-16,19-dioxo-15-azahexacyclo[ 6.6.4.1<15,18>.0<1,17>.0<2,7>.0<9,14>]nonadeca-2(7),3,5,9(14),10,12-hexaen-15- yl)benzoateBenzoic acid, 3-(4,9-dibromo-1,3,3a,4,9,9a-hexahydro-1,3-dioxo-4,9[1',2']-benzeno-2H-benz[f]isoindol-2-yl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
데이터베이스 식별자
- CAS
497945-58-1
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 63.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,030
물리화학적 성질
- 끓는 점
- 754.3 · 754.3±60.0 °C(Predicted)
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -4.23 · -4.23±0.60(Predicted)
관련 반응
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