3-[(4-chlorophenyl)sulfonyl]-2-imino-10-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
기본 정보
- CAS
578699-31-7- 표준 SMILES
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n(CC4CCCO4)c3nc12- InChIKey
XWPQPTMRKSNQGH-UHFFFAOYSA-N- 분자식
- C23H21ClN4O4S
- 평균 분자량
- 485 g/mol
- 단동위원소 질량
- 484.097204
이름 및 식별자
- 우선 이름
- 3-[(4-chlorophenyl)sulfonyl]-2-imino-10-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
- IUPAC
- 5-(4-chlorophenyl)sulfonyl-6-imino-11-methyl-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- 영어명
- 3-[(4-chlorophenyl)sulfonyl]-2-imino-10-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
- 분자식
- C23H21ClN4O4S
- 분자량
- 484.96
이름 및 동의어
578699-31-73-[(4-chlorophenyl)sulfonyl]-2-imino-10-methyl-1-(tetrahydro-2-furanylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-oneAF-399/42865038MLS000332240STK703771AKOS001444616AKOS0160552285-(4-Chlorophenyl)sulfonyl-6-imino-11-methyl-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-oneSMR000434929Z577850433-((4-chlorophenyl)sulfonyl)-2-imino-10-methyl-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one3-(4-Chloro-benzenesulfonyl)-2-imino-8-methyl-1-(tetrahydro-furan-2-ylmethyl)-1,2-dihydro-1,9,10a-triaz a-anthracen-10-one
이름 더 보기
5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-[(4-chlorophenyl)sulfonyl]-1,2-dihydro-2-imino-10-methyl-1-[(tetrahydro-2-furanyl)methyl]-
3-[(4-chlorophenyl)sulfonyl]-2-imino-10-methyl-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 1,150
물리화학적 성질
- 끓는 점
- 635.1 · 635.1±65.0 °C(Predicted)
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.13 · 6.13±0.60(Predicted)
관련 반응
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