N-{5-[(5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-ylmethyl]-thiophene-3-carbonyl}-methanesulfonamide

HCID 60054871

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1cc(C(=O)NS(C)(=O)=O)cs1)C[C@H]2c1ccc(C#N)cc1
InChIKey: UXWQUTVSLRHEIH-WNCULLNHSA-N
분자식: C27H23Cl2N5O5S2
평균 분자량: 632.5 g/mol

이름 및 식별자

우선 이름: N-{5-[(5S*,9R*)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-ylmethyl]-thiophene-3-carbonyl}-methanesulfonamide
IUPAC: 5-[[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]methyl]-N-methylsulfonylthiophene-3-carboxamide

이름 및 동의어

SCHEMBL3842846UXWQUTVSLRHEIH-WNCULLNHSA-NN-{5-[(5S*,9R*)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-ylmethyl]-thiophene-3-carbonyl }-methanesulfonamideN-{5-[(5S*,9R*)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-ylmethyl]-thiophene-3-carbonyl}-methanesulfonamide

데이터베이스 식별자

PubChem CID: 60054871

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 168 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 6
무거운 원자 수: 41
형식 전하: 0
복잡도: 1,210

화합물 노트

불러오는 중…