기본 정보
- CAS
842966-82-9- 표준 SMILES
COc1ccc(CCn2c(=N)c(C(=O)NC3CCCCC3)cc3c(=O)n4ccccc4nc32)cc1- InChIKey
FQZXLEUPQFECLL-UHFFFAOYSA-N- 분자식
- C27H29N5O3
- 평균 분자량
- 471.5 g/mol
- 단동위원소 질량
- 471.2270398
이름 및 식별자
- 우선 이름
- N-cyclohexyl-6-imino-7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- IUPAC
- N-cyclohexyl-6-imino-7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- 영어명
- N-cyclohexyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
- 분자식
- C27H29N5O3
- 분자량
- 471.55
이름 및 동의어
MLS001146200SMR000646879842966-82-9N-cyclohexyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamideN-cyclohexyl-6-imino-7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamideMLS003903124CHEMBL1417832BDBM53320cid_3723398STK707068AKOS005179800Z56327910
이름 더 보기
2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-cyclohexyl-1,5-dihydro-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-
2-azanylidene-N-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-5-oxidanylidene-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamideN-cyclohexyl-2-imino-1-(4-methoxyphenethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamideN-cyclohexyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarboxamideN-cyclohexyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxodipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamideN-cyclohexyl-2-imino-5-keto-1-[2-(4-methoxyphenyl)ethyl]dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 98.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 1,040
물리화학적 성질
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.67 · 11.67±0.20(Predicted)
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